1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol

C12H13BrOS2 — CID 115798352

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1cc(C(O)CCc2ccsc2)sc1Br
InChIInChI=1S/C12H13BrOS2/c1-8-6-11(16-12(8)13)10(14)3-2-9-4-5-15-7-9/h4-7,10,14H,2-3H2,1H3
InChIKeyLKTHQASUDMJIJR-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 115798352) has the molecular formula C12H13BrOS2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID115798352
Molecular FormulaC12H13BrOS2
Molecular Weight317.27 g/mol
Exact Mass315.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1cc(C(O)CCc2ccsc2)sc1Br
InChIInChI=1S/C12H13BrOS2/c1-8-6-11(16-12(8)13)10(14)3-2-9-4-5-15-7-9/h4-7,10,14H,2-3H2,1H3
InChIKeyLKTHQASUDMJIJR-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
CID 115839544
1-(5-bromo-4-methylthiophen-2-yl)pent-4-yn-1-ol
CID 115799398
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893
5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 79929799
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 115798352) is 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol is Cc1cc(C(O)CCc2ccsc2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is LKTHQASUDMJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrOS2/c1-8-6-11(16-12(8)13)10(14)3-2-9-4-5-15-7-9/h4-7,10,14H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 317.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 115798352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).